2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(2,3-dimethylphenyl)propanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(2,3-dimethylphenyl)propanoic acid Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(2,3-dimethylphenyl)propanoic acid CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(2,3-dimethylphenyl)propanoic acid IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(2,3-dimethylphenyl)propanoic acid Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(2,3-dimethylphenyl)propionic acid Formula: C18H16ClNO2S2 MolecularWeight: 377.90814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C(=O)O)SC2=NC3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C(=O)O)SC2=NC3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C18H16ClNO2S2/c1-10-5-4-6-13(11(10)2)18(3,16(21)22)24-17-20-14-9-12(19)7-8-15(14)23-17/h4-9H,1-3H3,(H,21,22)